N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide

C8H20N4O3S — CID 77029950

IUPACN'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(7(9)11-13)10-5-8(2,3)12-16(4,14)15/h6,10,12-13H,5H2,1-4H3,(H2,9,11)
InChIKeyRKEFHRXVZGISCN-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.96
Rot. Bonds6

About N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide

N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide (PubChem CID 77029950) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
PubChem CID77029950
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(7(9)11-13)10-5-8(2,3)12-16(4,14)15/h6,10,12-13H,5H2,1-4H3,(H2,9,11)
InChIKeyRKEFHRXVZGISCN-UHFFFAOYSA-N
XLogP-0.96
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide (CID 77029950) is N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide is CC(NCC(C)(C)NS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide?
The InChIKey is RKEFHRXVZGISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-6(7(9)11-13)10-5-8(2,3)12-16(4,14)15/h6,10,12-13H,5H2,1-4H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide?
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide is sourced from PubChem (CID 77029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).